General Information of the Compound
Compound ID
CP0559512
Compound Name
N-(5-methyl-1,2-oxazol-3-yl)-4-phenoxybutanamide
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Structure
Formula
C14H16N2O3
Molecular Weight
260.293
Canonical SMILES
Cc1cc(NC(=O)CCCOc2ccccc2)no1
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InChI
InChI=1S/C14H16N2O3/c1-11-10-13(16-19-11)15-14(17)8-5-9-18-12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3,(H,15,16,17)
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InChIKey
AZVMWZHVCNRPFP-UHFFFAOYSA-N
Physicochemical Property
logP
2.78072
Rotatable Bonds
6
Heavy Atom Count
19
Polar Areas
64.36
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
19

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 2055715
ChEMBL ID
CHEMBL4452854
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT04279, Protein Tat
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000088 Flp-In-293 Homo sapiens (Human)  1
1
EC50 > 40000 nM
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   LI
   LO
   TS